CAS RN: 288385-51-3
1-(3-HYDROXYPROPYL)-1,2,3-TRIAZOLE(WXG00862)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS288385-51-3
- Purity/Analytical Methods: >99.0%
288385-51-3 / 3-(triazol-1-yl)propan-1-ol
Basic Information
CAS
288385-51-3
Multi CAS
No
Molecular Formula
C5H9N3O
Molecular Weight
127.140000
Exact Mass
127.074562
InChI
InChI=1S/C5H9N3O/c9-5-1-3-8-4-2-6-7-8/h2,4,9H,1,3,5H2
InChIKey
QMJQIUUJHFIHEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.72
TPSA
50.94
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.7
Consensus LogP
-0.45
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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